((2-methyl-1,3-phenylene)bis(oxy)dibenzene)

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ((2-methyl-1,3-phenylene)bis(oxy)dibenzene)
• 英文别名: 2,6-Diphenoxytoluene；2-methyl-1,3-diphenoxybenzene
• 化学式: C₁₉H₁₆O₂
• 分子量: 276.335
• InChiKey: PFTKFQKGNHJXQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ((2-methyl-1,3-phenylene)bis(oxy)dibenzene) 在 三乙基硅烷 、 potassium tert-butylate 作用下， 以 neat (no solvent) 为溶剂， 反应 18.0h， 以15%的产率得到2-benzhydrylbenzene-1,3-diol
  参考文献：
  名称：

  [Et3SiH + KOtBu]的苄基CH功能导致邻甲苯基芳醚，胺和硫化物的自由基重排

  摘要：

  Et 3 SiH + KO t Bu与具有邻烷基的二芳基醚，硫化物和胺的反应会导致重排产物。该重排是由苄基的形成引起的，该苄基的形成可能是通过三乙基甲硅烷基基团夺取氢原子而形成的。重排涉及将苄基环化到伙伴芳烃上，这从计算上是速率确定步骤。在二芳基醚的情况下，Truce-Smiles重排是由自由基环化形成的5元环，但对于二芳基胺，则观察到环化形成了二氢ac啶。

  DOI：

  10.1002/adsc.202000356
• 作为产物：
  描述：

  2-methyl-1,3-bis((η6-phenoxy-η5-cyclopentadienyl)iron)benzene hexafluorophosphate 以 二氯甲烷 、 乙腈 为溶剂， 以90%的产率得到((2-methyl-1,3-phenylene)bis(oxy)dibenzene)
  参考文献：
  名称：

  双（环戊二烯基铁）芳烃配合物：合成和官能化聚芳醚的新途径

  摘要：

  A new development in the chemistry of arenes activated toward S(N)Ar reactions by the cyclopentadienyliron (FeCp+) moiety is presented in this work. A class of diiron complexes of diphenoxybenzenes was prepared in a highly efficient and very mild fashion. Dihydroxyaromatic compounds served as dinucleophiles, allowing for the formation of the diiron complexes. This could be achieved in either a one or two step procedure. A wide variety of dinucleophiles were incorporated into this study, as well as a number of FeCp+ activated arenes. It is shown that these reactions are not inhibited by bulky substituents on either the dinucleophiles or activated arenes. The diiron complexes themselves could also undergo S(N)Ar reactions, provided that the complexed arenes contained a chlorine substituent. This allowed for the functionalization of the complexes with species that could not be introduced directly in their syntheses. The carbon nucleophiles generated from ethyl cyanoacetate or (phenylsulfonyl)acetonitrile could be attached to the complexed ethers in this manner. The FeCp+ moieties were removed easily by photolytic demetalation which allowed for the recovery of a wide range of functionalized diphenoxybenzenes. This methodology is advantageous over all those previously reported and should be a practical route to the synthesis of aromatic ethers.

  DOI：

  10.1021/om00013a055

文献信息

• The First C−Cl Activation in Ullmann C−O Coupling by MOFs
  作者：Leila Ramezani、Asieh Yahyazadeh、Mehdi Sheykhan

  DOI：10.1002/cctc.201801111

  日期：2018.10.23

  Ag(I) into the framework of Cu3(BTC)2 ⋅ xH2O in maghemite anchored CuBTC activated the inert CuBTC astonishingly to exhibit unexpected high catalytic activity for C−Cl activation in coupling of chloroarenes with phenols without the use of expensive ligands. This is the first application of mixed‐metal MOFs in the C−X activation. Putting reusability and activity together, a TON over 15000 was obtained

  结果发现，引入只有0.03摩尔％的Ag（I）到Cu的框架3（BTC）2  ⋅XH 2 ○在磁赤铁矿锚定CuBTC激活惰性CuBTC惊人地显示出对于C-CL的激活耦合意想不到高的催化活性无需使用昂贵的配体即可将氯代芳烃与苯酚混合使用。这是C-X激活中混合金属MOF的首次应用。综合可重用性和活性，获得的TON超过15000，与所有先例相比，它是最高的TON，甚至比Pd催化剂的结果还要好。
• Synthesis of Benzobis- and Benzotrisbenzofurans by Palladium-Catalyzed Multiple Intramolecular C–H/C–H Coupling
  作者：Hiroyuki Kaida、Tetsuya Satoh、Yuji Nishii、Koji Hirano、Masahiro Miura

  DOI：10.1246/cl.160496

  日期：2016.9.5

  Treatment of diaryloxy- and triaryloxybenzenes in the presence of a Pd(TFA)2 catalyst and an AgOAc oxidant produces the corresponding benzobis- and benzotrisbenzofurans in good yields through double and triple intramolecular C–H/C–H coupling reactions, respectively.

  在Pd(TFA)₂催化剂和AgOAc氧化剂的存在下，对二芳氧和三芳氧苯进行处理，可以通过双重和三重分子内C–H/C–H耦合反应，获得相应的苯并双苯并呋喃和苯并三苯并呋喃，并且产率良好。
• Herbicidal benzamides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04191554A1

  公开（公告）日：1980-03-04

  Herbicidal compounds of the formula: ##STR1## where R.sub.1 is hydrogen, methyl or ethyl; R.sub.2 is alkyl of 1-4 carbon atoms, methoxy or cyanomethyl; and p1 R.sub.1 and R.sub.2 together can be --(CH.sub.2).sub.4 --, provided that when R.sub.2 is alkyl of 3 or 4 carbon atoms, methoxy or cyanomethyl, R.sub.1 cannot be ethyl.

  式子中的除草化合物：##STR1## 其中，R.sub.1是氢、甲基或乙基；R.sub.2是1-4个碳原子的烷基、甲氧基或氰甲基；p1 R.sub.1和R.sub.2在一起可以是--(CH.sub.2).sub.4 --，但当R.sub.2是3或4个碳原子的烷基、甲氧基或氰甲基时，R.sub.1不能是乙基。
• ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES
  申请人：Universal Display Corporation

  公开号：EP3750897A1

  公开（公告）日：2020-12-16

  Provided are organometallic compounds. Also provided are formulations comprising these organometallic compounds. Further provided are OLEDs and related consumer products that utilize these organometallic compounds.

  提供的是有机金属化合物。还提供了包含这些有机金属化合物的配方。此外，还提供了使用这些有机金属化合物的有机发光二极管和相关消费产品。
• US4191554A
  申请人：——

  公开号：US4191554A

  公开（公告）日：1980-03-04